USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 261 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 SER OG : rot 23:sc= 0.163 USER MOD Single : A 22 ASN : amide:sc= -0.821 K(o=-0.82,f=0) USER MOD Single : A 24 HIS : no HD1:sc= -0.021 X(o=-0.021,f=-0.054) USER MOD Single : A 27 SER OG : rot 150:sc= 0.688 USER MOD Single : A 30 GLN : amide:sc= 0.228 X(o=0.23,f=-0.22) USER MOD Single : A 31 THR OG1 : rot 119:sc= 0.955 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.26 K(o=0.26,f=-8.3!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= -0.0104 (180deg=-0.0503) USER MOD Single : A 44 LYS NZ :NH3+ -177:sc= 0.674 (180deg=0.625) USER MOD Single : A 45 SER OG : rot 73:sc= 0.0277 USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= 1.02 (180deg=0.993) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -146:sc= 0.47 (180deg=-0.469) USER MOD Single : A 53 HIS : no HE2:sc= 0.434 K(o=0.43,f=-1.5) USER MOD Single : A 56 LYS NZ :NH3+ -150:sc= 0.42 (180deg=-1.5) USER MOD ----------------------------------------------------------------- ATOM 294 N SER A 21 -7.078 16.286 11.735 1.00 0.00 N ATOM 295 CA SER A 21 -7.446 16.232 13.104 1.00 0.00 C ATOM 296 C SER A 21 -8.824 15.678 13.304 1.00 0.00 C ATOM 297 O SER A 21 -9.848 16.338 13.106 1.00 0.00 O ATOM 298 CB SER A 21 -7.271 17.524 13.790 1.00 0.00 C ATOM 299 OG SER A 21 -5.951 18.016 13.589 1.00 0.00 O ATOM 0 HA SER A 21 -6.753 15.534 13.573 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.996 18.245 13.413 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.464 17.406 14.856 1.00 0.00 H new ATOM 0 HG SER A 21 -5.570 17.610 12.783 1.00 0.00 H new ATOM 305 N ASN A 22 -8.811 14.455 13.597 1.00 0.00 N ATOM 306 CA ASN A 22 -9.985 13.676 13.863 1.00 0.00 C ATOM 307 C ASN A 22 -9.994 13.308 15.326 1.00 0.00 C ATOM 308 O ASN A 22 -9.210 12.459 15.740 1.00 0.00 O ATOM 309 CB ASN A 22 -10.038 12.411 12.980 1.00 0.00 C ATOM 310 CG ASN A 22 -10.110 12.698 11.474 1.00 0.00 C ATOM 311 OD1 ASN A 22 -9.640 11.910 10.659 1.00 0.00 O ATOM 312 ND2 ASN A 22 -10.677 13.825 11.090 1.00 0.00 N ATOM 0 H ASN A 22 -7.948 13.916 13.668 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.869 14.267 13.622 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.155 11.804 13.181 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.906 11.817 13.267 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.731 14.056 10.098 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.061 14.465 11.785 1.00 0.00 H new ATOM 319 N PRO A 23 -10.809 13.974 16.146 1.00 0.00 N ATOM 320 CA PRO A 23 -10.868 13.673 17.565 1.00 0.00 C ATOM 321 C PRO A 23 -11.533 12.318 17.814 1.00 0.00 C ATOM 322 O PRO A 23 -12.556 11.983 17.204 1.00 0.00 O ATOM 323 CB PRO A 23 -11.697 14.818 18.150 1.00 0.00 C ATOM 324 CG PRO A 23 -12.522 15.320 17.014 1.00 0.00 C ATOM 325 CD PRO A 23 -11.728 15.062 15.762 1.00 0.00 C ATOM 0 HA PRO A 23 -9.881 13.599 18.021 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.325 14.471 18.970 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.057 15.604 18.550 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.483 14.807 16.976 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.732 16.383 17.128 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.372 14.768 14.933 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.184 15.951 15.443 1.00 0.00 H new ATOM 333 N HIS A 24 -10.967 11.556 18.695 1.00 0.00 N ATOM 334 CA HIS A 24 -11.411 10.223 18.975 1.00 0.00 C ATOM 335 C HIS A 24 -11.262 9.933 20.420 1.00 0.00 C ATOM 336 O HIS A 24 -10.202 10.128 21.018 1.00 0.00 O ATOM 337 CB HIS A 24 -10.570 9.221 18.204 1.00 0.00 C ATOM 338 CG HIS A 24 -10.691 9.234 16.697 1.00 0.00 C ATOM 339 ND1 HIS A 24 -11.881 9.120 16.010 1.00 0.00 N ATOM 340 CD2 HIS A 24 -9.729 9.324 15.753 1.00 0.00 C ATOM 341 CE1 HIS A 24 -11.606 9.137 14.704 1.00 0.00 C ATOM 342 NE2 HIS A 24 -10.312 9.257 14.491 1.00 0.00 N ATOM 0 H HIS A 24 -10.165 11.848 19.254 1.00 0.00 H new ATOM 0 HA HIS A 24 -12.457 10.142 18.680 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -9.524 9.389 18.461 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -10.828 8.222 18.555 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -8.672 9.431 15.947 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -12.348 9.062 13.923 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -9.836 9.293 13.589 1.00 0.00 H new ATOM 350 N CYS A 25 -12.319 9.499 20.959 1.00 0.00 N ATOM 351 CA CYS A 25 -12.387 9.014 22.289 1.00 0.00 C ATOM 352 C CYS A 25 -12.193 7.542 22.193 1.00 0.00 C ATOM 353 O CYS A 25 -13.096 6.812 21.753 1.00 0.00 O ATOM 354 CB CYS A 25 -13.743 9.302 22.914 1.00 0.00 C ATOM 355 SG CYS A 25 -13.987 8.511 24.546 1.00 0.00 S ATOM 0 H CYS A 25 -13.214 9.465 20.471 1.00 0.00 H new ATOM 0 HA CYS A 25 -11.635 9.497 22.913 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -13.861 10.380 23.022 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -14.525 8.962 22.235 1.00 0.00 H new ATOM 360 N GLY A 26 -11.025 7.098 22.529 1.00 0.00 N ATOM 361 CA GLY A 26 -10.702 5.731 22.407 1.00 0.00 C ATOM 362 C GLY A 26 -11.501 4.886 23.339 1.00 0.00 C ATOM 363 O GLY A 26 -12.092 5.379 24.305 1.00 0.00 O ATOM 0 H GLY A 26 -10.273 7.682 22.895 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.878 5.407 21.381 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.640 5.589 22.608 1.00 0.00 H new ATOM 367 N SER A 27 -11.553 3.642 23.039 1.00 0.00 N ATOM 368 CA SER A 27 -12.195 2.630 23.872 1.00 0.00 C ATOM 369 C SER A 27 -11.635 2.677 25.295 1.00 0.00 C ATOM 370 O SER A 27 -12.351 2.408 26.250 1.00 0.00 O ATOM 371 CB SER A 27 -12.057 1.228 23.251 1.00 0.00 C ATOM 372 OG SER A 27 -10.697 0.914 22.982 1.00 0.00 O ATOM 0 H SER A 27 -11.144 3.262 22.185 1.00 0.00 H new ATOM 0 HA SER A 27 -13.261 2.852 23.924 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.477 0.485 23.929 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.633 1.179 22.327 1.00 0.00 H new ATOM 0 HG SER A 27 -10.564 -0.054 23.056 1.00 0.00 H new ATOM 378 N ASP A 28 -10.371 3.116 25.402 1.00 0.00 N ATOM 379 CA ASP A 28 -9.700 3.354 26.670 1.00 0.00 C ATOM 380 C ASP A 28 -10.439 4.394 27.421 1.00 0.00 C ATOM 381 O ASP A 28 -10.865 4.214 28.546 1.00 0.00 O ATOM 382 CB ASP A 28 -8.266 3.818 26.415 1.00 0.00 C ATOM 383 CG ASP A 28 -7.500 4.065 27.699 1.00 0.00 C ATOM 384 OD1 ASP A 28 -7.688 5.135 28.298 1.00 0.00 O ATOM 385 OD2 ASP A 28 -6.712 3.211 28.088 1.00 0.00 O ATOM 0 H ASP A 28 -9.785 3.316 24.591 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.675 2.432 27.251 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.744 3.066 25.823 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.283 4.734 25.824 1.00 0.00 H new ATOM 390 N GLY A 29 -10.750 5.402 26.715 1.00 0.00 N ATOM 391 CA GLY A 29 -11.310 6.545 27.313 1.00 0.00 C ATOM 392 C GLY A 29 -10.513 7.696 26.954 1.00 0.00 C ATOM 393 O GLY A 29 -10.957 8.832 27.040 1.00 0.00 O ATOM 0 H GLY A 29 -10.625 5.462 25.704 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.339 6.680 26.980 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.338 6.429 28.396 1.00 0.00 H new ATOM 397 N GLN A 30 -9.340 7.401 26.492 1.00 0.00 N ATOM 398 CA GLN A 30 -8.451 8.454 26.095 1.00 0.00 C ATOM 399 C GLN A 30 -8.843 9.116 24.860 1.00 0.00 C ATOM 400 O GLN A 30 -9.214 8.493 23.871 1.00 0.00 O ATOM 401 CB GLN A 30 -7.045 8.021 26.012 1.00 0.00 C ATOM 402 CG GLN A 30 -6.595 7.683 27.330 1.00 0.00 C ATOM 403 CD GLN A 30 -5.180 7.169 27.381 1.00 0.00 C ATOM 404 OE1 GLN A 30 -4.315 7.609 26.627 1.00 0.00 O ATOM 405 NE2 GLN A 30 -4.973 6.154 28.163 1.00 0.00 N ATOM 0 H GLN A 30 -8.976 6.455 26.380 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.534 9.186 26.898 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.952 7.162 25.348 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.428 8.816 25.593 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.674 8.564 27.967 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.260 6.927 27.747 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.719 5.820 28.774 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.065 5.690 28.167 1.00 0.00 H new ATOM 414 N THR A 31 -8.758 10.375 24.925 1.00 0.00 N ATOM 415 CA THR A 31 -9.107 11.188 23.818 1.00 0.00 C ATOM 416 C THR A 31 -7.868 11.662 23.124 1.00 0.00 C ATOM 417 O THR A 31 -7.012 12.310 23.721 1.00 0.00 O ATOM 418 CB THR A 31 -9.950 12.406 24.199 1.00 0.00 C ATOM 419 OG1 THR A 31 -11.155 11.992 24.864 1.00 0.00 O ATOM 420 CG2 THR A 31 -10.317 13.184 22.936 1.00 0.00 C ATOM 0 H THR A 31 -8.443 10.888 25.749 1.00 0.00 H new ATOM 0 HA THR A 31 -9.713 10.563 23.161 1.00 0.00 H new ATOM 0 HB THR A 31 -9.371 13.038 24.872 1.00 0.00 H new ATOM 0 HG1 THR A 31 -11.176 12.370 25.768 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.918 14.053 23.205 1.00 0.00 H new ATOM 0 HG22 THR A 31 -9.407 13.514 22.434 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.888 12.541 22.266 1.00 0.00 H new ATOM 428 N TYR A 32 -7.778 11.334 21.897 1.00 0.00 N ATOM 429 CA TYR A 32 -6.726 11.730 21.101 1.00 0.00 C ATOM 430 C TYR A 32 -7.175 12.718 20.038 1.00 0.00 C ATOM 431 O TYR A 32 -8.258 12.575 19.453 1.00 0.00 O ATOM 432 CB TYR A 32 -5.952 10.522 20.600 1.00 0.00 C ATOM 433 CG TYR A 32 -6.747 9.316 20.082 1.00 0.00 C ATOM 434 CD1 TYR A 32 -7.333 8.409 20.969 1.00 0.00 C ATOM 435 CD2 TYR A 32 -6.847 9.050 18.738 1.00 0.00 C ATOM 436 CE1 TYR A 32 -8.001 7.292 20.517 1.00 0.00 C ATOM 437 CE2 TYR A 32 -7.506 7.925 18.276 1.00 0.00 C ATOM 438 CZ TYR A 32 -8.082 7.053 19.169 1.00 0.00 C ATOM 439 OH TYR A 32 -8.741 5.933 18.706 1.00 0.00 O ATOM 0 H TYR A 32 -8.470 10.760 21.415 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.006 12.296 21.692 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -5.295 10.857 19.798 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.313 10.176 21.412 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -7.261 8.587 22.032 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.403 9.732 18.029 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -8.457 6.610 21.219 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.568 7.732 17.215 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.707 5.915 17.727 1.00 0.00 H new ATOM 449 N GLY A 33 -6.361 13.766 19.891 1.00 0.00 N ATOM 450 CA GLY A 33 -6.630 14.895 18.985 1.00 0.00 C ATOM 451 C GLY A 33 -6.802 14.481 17.551 1.00 0.00 C ATOM 452 O GLY A 33 -7.628 15.034 16.833 1.00 0.00 O ATOM 0 H GLY A 33 -5.484 13.859 20.403 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.531 15.411 19.317 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.810 15.610 19.053 1.00 0.00 H new ATOM 456 N ASN A 34 -5.996 13.553 17.124 1.00 0.00 N ATOM 457 CA ASN A 34 -6.157 12.961 15.851 1.00 0.00 C ATOM 458 C ASN A 34 -5.859 11.522 16.053 1.00 0.00 C ATOM 459 O ASN A 34 -5.377 11.158 17.114 1.00 0.00 O ATOM 460 CB ASN A 34 -5.299 13.632 14.725 1.00 0.00 C ATOM 461 CG ASN A 34 -3.783 13.480 14.814 1.00 0.00 C ATOM 462 OD1 ASN A 34 -3.263 12.496 15.292 1.00 0.00 O ATOM 463 ND2 ASN A 34 -3.072 14.460 14.317 1.00 0.00 N ATOM 0 H ASN A 34 -5.208 13.192 17.661 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.171 13.105 15.477 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.623 13.225 13.767 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.531 14.697 14.714 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.053 14.407 14.326 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.536 15.277 13.921 1.00 0.00 H new ATOM 470 N LYS A 35 -6.112 10.708 15.099 1.00 0.00 N ATOM 471 CA LYS A 35 -5.953 9.276 15.297 1.00 0.00 C ATOM 472 C LYS A 35 -4.524 8.882 15.480 1.00 0.00 C ATOM 473 O LYS A 35 -4.200 8.025 16.270 1.00 0.00 O ATOM 474 CB LYS A 35 -6.595 8.533 14.172 1.00 0.00 C ATOM 475 CG LYS A 35 -6.779 7.048 14.400 1.00 0.00 C ATOM 476 CD LYS A 35 -7.498 6.417 13.231 1.00 0.00 C ATOM 477 CE LYS A 35 -7.722 4.936 13.449 1.00 0.00 C ATOM 478 NZ LYS A 35 -8.252 4.290 12.228 1.00 0.00 N ATOM 0 H LYS A 35 -6.430 10.984 14.170 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.458 9.006 16.225 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.571 8.977 13.975 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.993 8.674 13.274 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.808 6.572 14.537 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.347 6.883 15.316 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.457 6.913 13.082 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.917 6.568 12.321 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.783 4.462 13.736 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.419 4.788 14.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.396 3.276 12.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.159 4.728 11.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.574 4.412 11.449 1.00 0.00 H new ATOM 492 N CYS A 36 -3.718 9.536 14.790 1.00 0.00 N ATOM 493 CA CYS A 36 -2.276 9.297 14.783 1.00 0.00 C ATOM 494 C CYS A 36 -1.667 9.533 16.123 1.00 0.00 C ATOM 495 O CYS A 36 -0.725 8.835 16.551 1.00 0.00 O ATOM 496 CB CYS A 36 -1.617 10.167 13.756 1.00 0.00 C ATOM 497 SG CYS A 36 -0.193 9.361 12.974 1.00 0.00 S ATOM 0 H CYS A 36 -4.006 10.295 14.172 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.115 8.249 14.529 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.345 10.435 12.990 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.292 11.096 14.225 1.00 0.00 H new ATOM 0 HG CYS A 36 0.331 10.163 12.095 1.00 0.00 H new ATOM 502 N ALA A 37 -2.245 10.473 16.774 1.00 0.00 N ATOM 503 CA ALA A 37 -1.888 10.901 18.099 1.00 0.00 C ATOM 504 C ALA A 37 -1.800 9.727 19.053 1.00 0.00 C ATOM 505 O ALA A 37 -0.843 9.623 19.814 1.00 0.00 O ATOM 506 CB ALA A 37 -2.903 11.897 18.580 1.00 0.00 C ATOM 0 H ALA A 37 -3.026 11.002 16.385 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.903 11.366 18.067 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.640 12.228 19.585 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.918 12.755 17.908 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.889 11.433 18.597 1.00 0.00 H new ATOM 512 N PHE A 38 -2.760 8.813 18.983 1.00 0.00 N ATOM 513 CA PHE A 38 -2.700 7.657 19.892 1.00 0.00 C ATOM 514 C PHE A 38 -2.582 6.317 19.130 1.00 0.00 C ATOM 515 O PHE A 38 -2.389 5.286 19.726 1.00 0.00 O ATOM 516 CB PHE A 38 -3.897 7.679 20.859 1.00 0.00 C ATOM 517 CG PHE A 38 -3.843 6.701 22.009 1.00 0.00 C ATOM 518 CD1 PHE A 38 -2.927 6.871 23.033 1.00 0.00 C ATOM 519 CD2 PHE A 38 -4.708 5.623 22.065 1.00 0.00 C ATOM 520 CE1 PHE A 38 -2.875 5.982 24.089 1.00 0.00 C ATOM 521 CE2 PHE A 38 -4.661 4.732 23.118 1.00 0.00 C ATOM 522 CZ PHE A 38 -3.744 4.911 24.131 1.00 0.00 C ATOM 0 H PHE A 38 -3.555 8.836 18.344 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.789 7.739 20.484 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.988 8.685 21.269 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.804 7.485 20.286 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.245 7.708 23.006 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.429 5.477 21.275 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.155 6.125 24.881 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.343 3.895 23.148 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.706 4.215 24.956 1.00 0.00 H new ATOM 532 N CYS A 39 -2.588 6.386 17.811 1.00 0.00 N ATOM 533 CA CYS A 39 -2.565 5.207 16.896 1.00 0.00 C ATOM 534 C CYS A 39 -1.451 4.278 17.226 1.00 0.00 C ATOM 535 O CYS A 39 -1.669 3.130 17.500 1.00 0.00 O ATOM 536 CB CYS A 39 -2.445 5.693 15.445 1.00 0.00 C ATOM 537 SG CYS A 39 -2.399 4.404 14.160 1.00 0.00 S ATOM 0 H CYS A 39 -2.609 7.275 17.312 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.496 4.654 17.023 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.286 6.354 15.236 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.539 6.293 15.360 1.00 0.00 H new ATOM 0 HG CYS A 39 -2.298 4.961 12.990 1.00 0.00 H new ATOM 542 N LYS A 40 -0.291 4.822 17.331 1.00 0.00 N ATOM 543 CA LYS A 40 0.913 4.121 17.537 1.00 0.00 C ATOM 544 C LYS A 40 1.002 3.452 18.853 1.00 0.00 C ATOM 545 O LYS A 40 1.726 2.498 19.041 1.00 0.00 O ATOM 546 CB LYS A 40 2.036 5.064 17.307 1.00 0.00 C ATOM 547 CG LYS A 40 1.880 6.526 17.827 1.00 0.00 C ATOM 548 CD LYS A 40 1.987 6.631 19.335 1.00 0.00 C ATOM 549 CE LYS A 40 1.674 8.035 19.841 1.00 0.00 C ATOM 550 NZ LYS A 40 2.504 9.092 19.202 1.00 0.00 N ATOM 0 H LYS A 40 -0.156 5.831 17.271 1.00 0.00 H new ATOM 0 HA LYS A 40 0.959 3.297 16.825 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.929 4.639 17.766 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.220 5.109 16.234 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.645 7.153 17.369 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.914 6.918 17.508 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.302 5.920 19.796 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.993 6.351 19.646 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.621 8.252 19.661 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.826 8.067 20.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.302 10.009 19.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.511 8.862 19.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.279 9.144 18.188 1.00 0.00 H new ATOM 564 N ALA A 41 0.322 3.985 19.712 1.00 0.00 N ATOM 565 CA ALA A 41 0.190 3.486 21.043 1.00 0.00 C ATOM 566 C ALA A 41 -0.865 2.432 21.110 1.00 0.00 C ATOM 567 O ALA A 41 -0.809 1.548 21.970 1.00 0.00 O ATOM 568 CB ALA A 41 -0.242 4.540 21.868 1.00 0.00 C ATOM 0 H ALA A 41 -0.211 4.838 19.545 1.00 0.00 H new ATOM 0 HA ALA A 41 1.150 3.077 21.357 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.350 4.180 22.891 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.491 5.346 21.842 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.203 4.911 21.511 1.00 0.00 H new ATOM 574 N ILE A 42 -1.837 2.507 20.204 1.00 0.00 N ATOM 575 CA ILE A 42 -2.861 1.483 20.140 1.00 0.00 C ATOM 576 C ILE A 42 -2.177 0.268 19.733 1.00 0.00 C ATOM 577 O ILE A 42 -2.364 -0.808 20.299 1.00 0.00 O ATOM 578 CB ILE A 42 -3.879 1.893 19.121 1.00 0.00 C ATOM 579 CG1 ILE A 42 -4.643 3.003 19.729 1.00 0.00 C ATOM 580 CG2 ILE A 42 -4.737 0.726 18.721 1.00 0.00 C ATOM 581 CD1 ILE A 42 -5.248 3.919 18.766 1.00 0.00 C ATOM 0 H ILE A 42 -1.932 3.255 19.517 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.376 1.334 21.089 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.420 2.230 18.192 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.429 2.585 20.358 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.979 3.569 20.383 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.468 1.049 17.980 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.110 -0.057 18.294 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.256 0.338 19.598 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.789 4.702 19.298 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.468 4.370 18.153 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.940 3.370 18.127 1.00 0.00 H new ATOM 593 N VAL A 43 -1.306 0.503 18.815 1.00 0.00 N ATOM 594 CA VAL A 43 -0.380 -0.453 18.314 1.00 0.00 C ATOM 595 C VAL A 43 0.398 -1.079 19.450 1.00 0.00 C ATOM 596 O VAL A 43 0.508 -2.292 19.534 1.00 0.00 O ATOM 597 CB VAL A 43 0.612 0.232 17.396 1.00 0.00 C ATOM 598 CG1 VAL A 43 1.580 -0.745 16.811 1.00 0.00 C ATOM 599 CG2 VAL A 43 -0.098 0.978 16.327 1.00 0.00 C ATOM 0 H VAL A 43 -1.215 1.416 18.369 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.939 -1.220 17.777 1.00 0.00 H new ATOM 0 HB VAL A 43 1.184 0.943 17.992 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.277 -0.220 16.158 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.133 -1.234 17.613 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.037 -1.494 16.235 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.630 1.464 15.677 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.703 0.286 15.741 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.743 1.733 16.777 1.00 0.00 H new ATOM 609 N LYS A 44 0.839 -0.244 20.372 1.00 0.00 N ATOM 610 CA LYS A 44 1.718 -0.693 21.428 1.00 0.00 C ATOM 611 C LYS A 44 1.010 -1.582 22.396 1.00 0.00 C ATOM 612 O LYS A 44 1.575 -2.525 22.923 1.00 0.00 O ATOM 613 CB LYS A 44 2.321 0.480 22.135 1.00 0.00 C ATOM 614 CG LYS A 44 3.251 1.324 21.269 1.00 0.00 C ATOM 615 CD LYS A 44 4.448 0.538 20.729 1.00 0.00 C ATOM 616 CE LYS A 44 5.191 1.344 19.666 1.00 0.00 C ATOM 617 NZ LYS A 44 4.370 1.532 18.442 1.00 0.00 N ATOM 0 H LYS A 44 0.602 0.747 20.409 1.00 0.00 H new ATOM 0 HA LYS A 44 2.515 -1.278 20.970 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.519 1.114 22.511 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.876 0.121 23.001 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.686 1.734 20.432 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.613 2.170 21.853 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.126 0.293 21.546 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.107 -0.406 20.304 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.465 2.317 20.073 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.119 0.835 19.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.927 2.039 17.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.087 0.604 18.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.520 2.085 18.675 1.00 0.00 H new ATOM 631 N SER A 45 -0.222 -1.289 22.614 1.00 0.00 N ATOM 632 CA SER A 45 -0.999 -2.080 23.500 1.00 0.00 C ATOM 633 C SER A 45 -1.537 -3.351 22.802 1.00 0.00 C ATOM 634 O SER A 45 -2.063 -4.262 23.471 1.00 0.00 O ATOM 635 CB SER A 45 -2.115 -1.250 24.076 1.00 0.00 C ATOM 636 OG SER A 45 -1.607 -0.078 24.683 1.00 0.00 O ATOM 0 H SER A 45 -0.716 -0.504 22.189 1.00 0.00 H new ATOM 0 HA SER A 45 -0.361 -2.418 24.316 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.819 -0.981 23.288 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.668 -1.835 24.811 1.00 0.00 H new ATOM 0 HG SER A 45 -1.308 0.546 23.989 1.00 0.00 H new ATOM 642 N GLY A 46 -1.379 -3.449 21.472 1.00 0.00 N ATOM 643 CA GLY A 46 -1.821 -4.583 20.789 1.00 0.00 C ATOM 644 C GLY A 46 -2.685 -4.332 19.595 1.00 0.00 C ATOM 645 O GLY A 46 -2.833 -5.193 18.753 1.00 0.00 O ATOM 0 H GLY A 46 -0.944 -2.736 20.887 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.949 -5.153 20.469 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.374 -5.211 21.487 1.00 0.00 H new ATOM 649 N GLY A 47 -3.250 -3.181 19.531 1.00 0.00 N ATOM 650 CA GLY A 47 -4.212 -2.875 18.500 1.00 0.00 C ATOM 651 C GLY A 47 -5.605 -3.059 19.040 1.00 0.00 C ATOM 652 O GLY A 47 -6.605 -2.833 18.358 1.00 0.00 O ATOM 0 H GLY A 47 -3.069 -2.417 20.183 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.077 -1.850 18.155 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.056 -3.524 17.638 1.00 0.00 H new ATOM 656 N LYS A 48 -5.649 -3.459 20.305 1.00 0.00 N ATOM 657 CA LYS A 48 -6.877 -3.720 21.023 1.00 0.00 C ATOM 658 C LYS A 48 -7.762 -2.492 21.146 1.00 0.00 C ATOM 659 O LYS A 48 -8.991 -2.603 21.150 1.00 0.00 O ATOM 660 CB LYS A 48 -6.524 -4.256 22.388 1.00 0.00 C ATOM 661 CG LYS A 48 -5.730 -5.544 22.337 1.00 0.00 C ATOM 662 CD LYS A 48 -4.807 -5.620 23.516 1.00 0.00 C ATOM 663 CE LYS A 48 -3.909 -6.844 23.469 1.00 0.00 C ATOM 664 NZ LYS A 48 -2.822 -6.749 24.482 1.00 0.00 N ATOM 0 H LYS A 48 -4.811 -3.612 20.866 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.455 -4.452 20.458 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.949 -3.504 22.929 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.441 -4.424 22.953 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.406 -6.399 22.338 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.157 -5.592 21.411 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.191 -4.722 23.550 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.395 -5.639 24.434 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.501 -7.741 23.649 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.476 -6.943 22.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.165 -7.546 24.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.308 -5.854 24.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.233 -6.781 25.437 1.00 0.00 H new ATOM 678 N ILE A 49 -7.154 -1.336 21.232 1.00 0.00 N ATOM 679 CA ILE A 49 -7.907 -0.128 21.396 1.00 0.00 C ATOM 680 C ILE A 49 -8.649 0.190 20.114 1.00 0.00 C ATOM 681 O ILE A 49 -8.130 0.050 19.009 1.00 0.00 O ATOM 682 CB ILE A 49 -7.044 1.095 21.840 1.00 0.00 C ATOM 683 CG1 ILE A 49 -6.254 0.828 23.139 1.00 0.00 C ATOM 684 CG2 ILE A 49 -7.894 2.380 21.988 1.00 0.00 C ATOM 685 CD1 ILE A 49 -5.032 -0.069 23.014 1.00 0.00 C ATOM 0 H ILE A 49 -6.143 -1.210 21.191 1.00 0.00 H new ATOM 0 HA ILE A 49 -8.613 -0.308 22.207 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.320 1.250 21.040 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.934 1.787 23.548 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.933 0.382 23.866 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.254 3.206 22.298 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.359 2.621 21.032 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -8.668 2.220 22.738 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.562 -0.182 23.991 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.336 -1.048 22.642 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.322 0.379 22.319 1.00 0.00 H new ATOM 697 N SER A 50 -9.842 0.568 20.291 1.00 0.00 N ATOM 698 CA SER A 50 -10.736 0.907 19.244 1.00 0.00 C ATOM 699 C SER A 50 -11.345 2.230 19.615 1.00 0.00 C ATOM 700 O SER A 50 -10.956 2.826 20.618 1.00 0.00 O ATOM 701 CB SER A 50 -11.802 -0.178 19.120 1.00 0.00 C ATOM 702 OG SER A 50 -11.191 -1.463 18.961 1.00 0.00 O ATOM 0 H SER A 50 -10.258 0.659 21.218 1.00 0.00 H new ATOM 0 HA SER A 50 -10.232 0.981 18.281 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.436 -0.177 20.007 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.447 0.033 18.267 1.00 0.00 H new ATOM 0 HG SER A 50 -11.887 -2.149 18.885 1.00 0.00 H new ATOM 708 N LEU A 51 -12.212 2.731 18.830 1.00 0.00 N ATOM 709 CA LEU A 51 -12.816 3.882 19.090 1.00 0.00 C ATOM 710 C LEU A 51 -14.175 3.752 19.739 1.00 0.00 C ATOM 711 O LEU A 51 -14.918 2.832 19.448 1.00 0.00 O ATOM 712 CB LEU A 51 -13.002 4.579 17.850 1.00 0.00 C ATOM 713 CG LEU A 51 -13.520 5.886 18.087 1.00 0.00 C ATOM 714 CD1 LEU A 51 -12.483 6.639 18.785 1.00 0.00 C ATOM 715 CD2 LEU A 51 -13.953 6.485 16.876 1.00 0.00 C ATOM 0 H LEU A 51 -12.504 2.294 17.956 1.00 0.00 H new ATOM 0 HA LEU A 51 -12.174 4.407 19.797 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.053 4.648 17.318 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.686 4.020 17.211 1.00 0.00 H new ATOM 0 HG LEU A 51 -14.411 5.861 18.715 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.840 7.649 18.986 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.245 6.144 19.726 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -11.588 6.687 18.164 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.344 7.481 17.082 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.112 6.561 16.187 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -14.736 5.874 16.427 1.00 0.00 H new ATOM 727 N LYS A 52 -14.445 4.649 20.668 1.00 0.00 N ATOM 728 CA LYS A 52 -15.801 4.825 21.118 1.00 0.00 C ATOM 729 C LYS A 52 -16.463 5.849 20.278 1.00 0.00 C ATOM 730 O LYS A 52 -17.446 5.605 19.604 1.00 0.00 O ATOM 731 CB LYS A 52 -15.945 5.342 22.522 1.00 0.00 C ATOM 732 CG LYS A 52 -15.186 4.659 23.559 1.00 0.00 C ATOM 733 CD LYS A 52 -15.783 5.006 24.930 1.00 0.00 C ATOM 734 CE LYS A 52 -15.104 4.293 26.084 1.00 0.00 C ATOM 735 NZ LYS A 52 -13.788 4.869 26.397 1.00 0.00 N ATOM 0 H LYS A 52 -13.755 5.253 21.115 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.237 3.828 21.059 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.656 6.393 22.527 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -17.000 5.300 22.792 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.215 3.581 23.398 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.139 4.959 23.518 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.712 6.082 25.086 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -16.843 4.753 24.930 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -15.741 4.346 26.967 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.987 3.237 25.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.146 4.115 26.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.396 5.322 25.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.890 5.578 27.151 1.00 0.00 H new ATOM 749 N HIS A 53 -15.871 6.984 20.294 1.00 0.00 N ATOM 750 CA HIS A 53 -16.563 8.176 19.789 1.00 0.00 C ATOM 751 C HIS A 53 -15.671 9.055 18.960 1.00 0.00 C ATOM 752 O HIS A 53 -14.470 9.168 19.234 1.00 0.00 O ATOM 753 CB HIS A 53 -17.081 9.077 20.955 1.00 0.00 C ATOM 754 CG HIS A 53 -17.915 8.416 22.017 1.00 0.00 C ATOM 755 ND1 HIS A 53 -17.666 8.550 23.371 1.00 0.00 N ATOM 756 CD2 HIS A 53 -19.026 7.646 21.919 1.00 0.00 C ATOM 757 CE1 HIS A 53 -18.606 7.872 24.030 1.00 0.00 C ATOM 758 NE2 HIS A 53 -19.457 7.304 23.200 1.00 0.00 N ATOM 0 H HIS A 53 -14.925 7.143 20.639 1.00 0.00 H new ATOM 0 HA HIS A 53 -17.383 7.785 19.187 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -16.217 9.533 21.439 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -17.667 9.887 20.521 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -16.899 9.075 23.791 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -19.501 7.346 20.997 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -18.663 7.798 25.106 1.00 0.00 H new ATOM 766 N PRO A 54 -16.220 9.673 17.912 1.00 0.00 N ATOM 767 CA PRO A 54 -15.557 10.756 17.240 1.00 0.00 C ATOM 768 C PRO A 54 -15.803 12.021 18.068 1.00 0.00 C ATOM 769 O PRO A 54 -16.926 12.514 18.152 1.00 0.00 O ATOM 770 CB PRO A 54 -16.266 10.852 15.872 1.00 0.00 C ATOM 771 CG PRO A 54 -17.282 9.749 15.855 1.00 0.00 C ATOM 772 CD PRO A 54 -17.509 9.354 17.285 1.00 0.00 C ATOM 0 HA PRO A 54 -14.482 10.623 17.119 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -16.743 11.824 15.747 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -15.554 10.739 15.055 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -18.211 10.085 15.394 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -16.924 8.901 15.271 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -18.329 9.914 17.735 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -17.755 8.296 17.380 1.00 0.00 H new ATOM 780 N GLY A 55 -14.777 12.499 18.687 1.00 0.00 N ATOM 781 CA GLY A 55 -14.895 13.600 19.589 1.00 0.00 C ATOM 782 C GLY A 55 -14.358 13.216 20.941 1.00 0.00 C ATOM 783 O GLY A 55 -14.067 12.044 21.176 1.00 0.00 O ATOM 0 H GLY A 55 -13.829 12.138 18.583 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.347 14.459 19.201 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.939 13.900 19.675 1.00 0.00 H new ATOM 787 N LYS A 56 -14.130 14.203 21.778 1.00 0.00 N ATOM 788 CA LYS A 56 -13.698 14.016 23.127 1.00 0.00 C ATOM 789 C LYS A 56 -14.542 13.164 24.026 1.00 0.00 C ATOM 790 O LYS A 56 -15.721 12.911 23.815 1.00 0.00 O ATOM 791 CB LYS A 56 -13.653 15.327 23.847 1.00 0.00 C ATOM 792 CG LYS A 56 -12.476 16.201 23.601 1.00 0.00 C ATOM 793 CD LYS A 56 -12.497 17.419 24.546 1.00 0.00 C ATOM 794 CE LYS A 56 -12.930 17.042 26.009 1.00 0.00 C ATOM 795 NZ LYS A 56 -12.140 15.919 26.633 1.00 0.00 N ATOM 0 H LYS A 56 -14.246 15.184 21.522 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.743 13.515 22.971 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.550 15.887 23.583 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.706 15.126 24.917 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.557 15.634 23.751 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.477 16.538 22.564 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.506 17.873 24.570 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.182 18.169 24.150 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.838 17.926 26.639 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.984 16.765 26.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.742 15.403 27.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.816 15.268 25.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.317 16.310 27.134 1.00 0.00 H new ATOM 809 N CYS A 57 -13.851 12.795 25.042 1.00 0.00 N ATOM 810 CA CYS A 57 -14.347 12.347 26.291 1.00 0.00 C ATOM 811 C CYS A 57 -13.522 13.157 27.285 1.00 0.00 C ATOM 812 O CYS A 57 -12.382 12.788 27.556 1.00 0.00 O ATOM 813 CB CYS A 57 -14.160 10.834 26.503 1.00 0.00 C ATOM 814 SG CYS A 57 -15.256 9.764 25.486 1.00 0.00 S ATOM 815 OXT CYS A 57 -13.938 14.297 27.618 1.00 0.00 O ATOM 0 H CYS A 57 -12.831 12.800 25.017 1.00 0.00 H new ATOM 0 HA CYS A 57 -15.423 12.491 26.389 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -13.123 10.577 26.285 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -14.330 10.606 27.555 1.00 0.00 H new